2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid

C15H16N2O3 — CID 162638294

IUPAC2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid
SMILESCOc1ccc(-c2nc(C)c(C)c(C)n2)cc1C(=O)O
InChIInChI=1S/C15H16N2O3/c1-8-9(2)16-14(17-10(8)3)11-5-6-13(20-4)12(7-11)15(18)19/h5-7H,1-4H3,(H,18,19)
InChIKeyWLEDUVBNYMPIAN-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.78
Rot. Bonds3

About 2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid

2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid (PubChem CID 162638294) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid
PubChem CID162638294
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid
SMILESCOc1ccc(-c2nc(C)c(C)c(C)n2)cc1C(=O)O
InChIInChI=1S/C15H16N2O3/c1-8-9(2)16-14(17-10(8)3)11-5-6-13(20-4)12(7-11)15(18)19/h5-7H,1-4H3,(H,18,19)
InChIKeyWLEDUVBNYMPIAN-UHFFFAOYSA-N
XLogP2.78
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol
CID 62202667
4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
CID 3434675
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150
5-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)-2-methoxybenzoic acid
CID 54010039
2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045736
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 65101012
5-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 94701090
2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 30031621
5-(3,4-dimethylphenyl)-2,3-dimethoxybenzoic acid
CID 82107051
methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 116647675
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid?
The IUPAC name of 2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid (CID 162638294) is 2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid is COc1ccc(-c2nc(C)c(C)c(C)n2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid?
The InChIKey is WLEDUVBNYMPIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8-9(2)16-14(17-10(8)3)11-5-6-13(20-4)12(7-11)15(18)19/h5-7H,1-4H3,(H,18,19).
What are the key properties of 2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid?
2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4,5,6-trimethylpyrimidin-2-yl)benzoic acid is sourced from PubChem (CID 162638294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).